prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride

C7H5FN4O6Si — CID 174949820

IUPACprop-2-enoic acid;tetraisocyanatosilane;hydrofluoride
SMILESC=CC(=O)O.F.O=C=N[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C4N4O4Si.C3H4O2.FH/c9-1-5-13(6-2-10,7-3-11)8-4-12;1-2-3(4)5;/h;2H,1H2,(H,4,5);1H
InChIKeyBGXDOHMOUFFANB-UHFFFAOYSA-N
MW288.22 g/mol
LogP-0.83
Rot. Bonds5

About prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride

prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride (PubChem CID 174949820) has the molecular formula C7H5FN4O6Si and a molecular weight of 288.22 g/mol. Its IUPAC name is prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride.

Molecular Properties

Compound Nameprop-2-enoic acid;tetraisocyanatosilane;hydrofluoride
PubChem CID174949820
Molecular FormulaC7H5FN4O6Si
Molecular Weight288.22 g/mol
Exact Mass288.00
IUPAC Nameprop-2-enoic acid;tetraisocyanatosilane;hydrofluoride
SMILESC=CC(=O)O.F.O=C=N[Si](N=C=O)(N=C=O)N=C=O
InChIInChI=1S/C4N4O4Si.C3H4O2.FH/c9-1-5-13(6-2-10,7-3-11)8-4-12;1-2-3(4)5;/h;2H,1H2,(H,4,5);1H
InChIKeyBGXDOHMOUFFANB-UHFFFAOYSA-N
XLogP-0.83
TPSA155.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbon dioxide;prop-2-enoic acid
CID 91485631
propa-1,2-diene;prop-2-enoic acid
CID 87528700
prop-2-enoic acid;hydrochloride
CID 22354205
iron(2+);prop-2-enoic acid
CID 10290804
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
Acrylic acid potassium salt
CID 87124626

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride?
The IUPAC name of prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride (CID 174949820) is prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride.
What is the SMILES notation for prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride?
The canonical SMILES for prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride is C=CC(=O)O.F.O=C=N[Si](N=C=O)(N=C=O)N=C=O.
What is the InChIKey of prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride?
The InChIKey is BGXDOHMOUFFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4N4O4Si.C3H4O2.FH/c9-1-5-13(6-2-10,7-3-11)8-4-12;1-2-3(4)5;/h;2H,1H2,(H,4,5);1H.
What are the key properties of prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride?
prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride has a molecular weight of 288.22 g/mol, XLogP of -0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;tetraisocyanatosilane;hydrofluoride is sourced from PubChem (CID 174949820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).